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Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices

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Main Authors: Rajan, Vohra, Ravinder Singh, Sawhney
Other Authors: rajanvohraece.rsh@gndu.ac.in
Format: Article
Language:English
Published: Universiti Malaysia Perlis (UniMAP) 2018
Subjects:
Azulene
Anthracene
HOMO-LUMO Gap
Non-Equlibrium Green’s Function
Extended Huckle Theory
Online Access:http://dspace.unimap.edu.my:80/xmlui/handle/123456789/57568
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spelling my.unimap-575682018-12-08T04:44:25Z Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices Rajan, Vohra Ravinder Singh, Sawhney rajanvohraece.rsh@gndu.ac.in Azulene Anthracene HOMO-LUMO Gap Non-Equlibrium Green’s Function Extended Huckle Theory Link to publisher's homepage at http://ijneam.unimap.edu.my In this research article, we contemplate the quantum transport properties through a single molecular junction comprising of Azulene (C10H8) sandwiched between two semi-infinite gold (Au) electrodes and compare the transport properties with its higher derivative Anthracene (C14H10) based device having similar geometrically optimized data. By modeling this device, we evaluate vital transport parameters like current, conductance, transmission spectra, HOMO-LUMO gap and rectification ratio using a combination of non-equilibrium green’s function and extended Huckle formalism. We observe that Au-C10H8-Au device exhibit higher current in spite of having lower conductance as compared to Au-C14H10-Au device within a variegated bias range. However, Azulene based device has the advantage of getting fabricated as a molecular wire because the charge transfer through this molecule is comparatively stabilized. This property can allow us to produce a molecular diode, which in turn can give us further insight to design molecular devices which can replicate the conventional semi-conductor devices. On the other hand, Anthracene based molecular devices can be utilized in electronic applications such as organic solar cells, OLEDS (Organic Light Emitting Diodes) etc. 2018-12-08T04:44:25Z 2018-12-08T04:44:25Z 2018-07 Article International Journal of Nanoelectronics and Materials, vol.11 (3), 2018, pages 333-346 1985-5761 (Printed) 1997-4434 (Online) http://dspace.unimap.edu.my:80/xmlui/handle/123456789/57568 http://ijneam.unimap.edu.my en Universiti Malaysia Perlis (UniMAP)
institution Universiti Malaysia Perlis
building UniMAP Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Perlis
content_source UniMAP Library Digital Repository
url_provider http://dspace.unimap.edu.my/
language English
topic Azulene
Anthracene
HOMO-LUMO Gap
Non-Equlibrium Green’s Function
Extended Huckle Theory
spellingShingle Azulene
Anthracene
HOMO-LUMO Gap
Non-Equlibrium Green’s Function
Extended Huckle Theory
Rajan, Vohra
Ravinder Singh, Sawhney
Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices
description Link to publisher's homepage at http://ijneam.unimap.edu.my
author2 rajanvohraece.rsh@gndu.ac.in
author_facet rajanvohraece.rsh@gndu.ac.in
Rajan, Vohra
Ravinder Singh, Sawhney
format Article
author Rajan, Vohra
Ravinder Singh, Sawhney
author_sort Rajan, Vohra
title Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices
title_short Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices
title_full Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices
title_fullStr Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices
title_full_unstemmed Contemplating Nanometer Scale Transport Characteristics through Aromatic Molecules Based Molecular Devices
title_sort contemplating nanometer scale transport characteristics through aromatic molecules based molecular devices
publisher Universiti Malaysia Perlis (UniMAP)
publishDate 2018
url http://dspace.unimap.edu.my:80/xmlui/handle/123456789/57568
_version_ 1643805353247244288
score 13.226497

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